Found 348 results

Search term: MF = 'C_{29}H_{44}N_{2}O_{3}'
ChemSpider 2D Image | (2R)-N-(3-Methoxypropyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-2-(4-{[(1S)-2-oxocyclopentyl]methyl}phenyl)propanamide | C29H44N2O3

(2R)-N-(3-Methoxypropyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-2-(4-{[(1S)-2-oxocyclopentyl]methyl}phenyl)propanamide

  • Molecular FormulaC29H44N2O3
  • Average mass468.671 Da
  • Monoisotopic mass468.335205 Da
  • ChemSpider ID58174376

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-N-(3-Methoxypropyl)-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]-2-(4-{[(1S)-2-oxocyclopentyl]methyl}phenyl)propanamid [German] [ACD/IUPAC Name]
(2R)-N-(3-Methoxypropyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-2-(4-{[(1S)-2-oxocyclopentyl]methyl}phenyl)propanamide [ACD/IUPAC Name]
(2R)-N-(3-Méthoxypropyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]-2-(4-{[(1S)-2-oxocyclopentyl]méthyl}phényl)propanamide [French] [ACD/IUPAC Name]
Benzeneacetamide, N-(3-methoxypropyl)-α-methyl-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]-4-[[(1S)-2-oxocyclopentyl]methyl]-, (αR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 617.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.1±28.7 °C
Index of Refraction: 1.560
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.28
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 3.86
ACD/KOC (pH 7.4): 18.46
Polar Surface Area: 50 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 422.9±5.0 cm3

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